CID 16227235

2-(1h-1,3-benzodiazol-2-yl)-2-methanesulfonylacetaldehyde

Structural Information

Molecular Formula
C10H10N2O3S
SMILES
CS(=O)(=O)C(C=O)C1=NC2=CC=CC=C2N1
InChI
InChI=1S/C10H10N2O3S/c1-16(14,15)9(6-13)10-11-7-4-2-3-5-8(7)12-10/h2-6,9H,1H3,(H,11,12)
InChIKey
CDMDPRCFRUTREL-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)-2-methylsulfonylacetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

238.04121 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.04849 150.3
[M+Na]+ 261.03043 161.2
[M-H]- 237.03393 152.0
[M+NH4]+ 256.07503 168.2
[M+K]+ 277.00437 157.1
[M+H-H2O]+ 221.03847 144.5
[M+HCOO]- 283.03941 166.1
[M+CH3COO]- 297.05506 184.1
[M+Na-2H]- 259.01588 155.0
[M]+ 238.04066 154.6
[M]- 238.04176 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe